Information card for entry 7241887

Structure parameters

• Formula: C15 H16 F2 N2 O
• Calculated formula: C15 H16 F2 N2 O
• SMILES: Fc1c(F)cc2n(C)c(=O)c(nc2c1)C1CCCCC1
• Title of publication: Electro-oxidative C‒H alkylation of quinoxalin-2(1H)-ones with organoboron compounds
• Authors of publication: Niu, Kaikai; Hao, Yanke; Song, Lingyun; Liu, Yuxiu; Wang, Qingmin
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 302 - 306
• a: 9.8524 ± 0.0001 Å
• b: 12.043 ± 0.0001 Å
• c: 12.4397 ± 0.0001 Å
• α: 90°
• β: 112.982 ± 0.001°
• γ: 90°
• Cell volume: 1358.85 ± 0.02 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No